2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine

C16H15Cl4N — CID 115863164

IUPAC2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl4N/c1-2-21-16(11-6-13(18)9-14(19)7-11)8-10-5-12(17)3-4-15(10)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyWNNBLSKQXHIXGZ-UHFFFAOYSA-N
MW363.12 g/mol
LogP6.19
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine

2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 115863164) has the molecular formula C16H15Cl4N and a molecular weight of 363.12 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
PubChem CID115863164
Molecular FormulaC16H15Cl4N
Molecular Weight363.12 g/mol
Exact Mass361.00
IUPAC Name2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl4N/c1-2-21-16(11-6-13(18)9-14(19)7-11)8-10-5-12(17)3-4-15(10)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyWNNBLSKQXHIXGZ-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.12
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
CID 105309863
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine (CID 115863164) is 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is WNNBLSKQXHIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl4N/c1-2-21-16(11-6-13(18)9-14(19)7-11)8-10-5-12(17)3-4-15(10)20/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 363.12 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115863164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).